REMARK Name = BDB010884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.033 0.320 -1.044 0.00 0.00 -0.318 N ATOM 2 C LIG 1 -0.603 -0.919 -1.275 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -1.904 -0.774 -0.819 0.00 0.00 +0.183 A ATOM 4 N LIG 1 -2.810 -1.761 -0.762 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -2.337 -2.930 -1.202 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -1.108 -3.171 -1.701 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -2.171 0.510 -0.466 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -0.212 -2.158 -1.777 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.058 1.186 -0.680 0.00 0.00 +0.180 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.257 -4.085 -1.150 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.500 -3.832 -0.664 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.128 -5.036 -0.723 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -6.274 -5.265 -0.381 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -4.219 -5.919 -1.237 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -4.388 -6.901 -1.407 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -3.032 -5.316 -1.507 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 1.046 -2.477 -2.441 0.00 0.00 +0.004 A ATOM 18 C LIG 1 1.428 -1.832 -3.628 0.00 0.00 +0.030 A ATOM 19 C LIG 1 2.626 -2.164 -4.263 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 3.083 -1.338 -5.702 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 3.454 -3.154 -3.741 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.075 -3.827 -2.582 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.877 -3.496 -1.944 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 -0.997 2.638 -0.518 0.00 0.00 +0.201 C ATOM 25 O LIG 1 -0.004 3.302 -0.815 0.00 0.00 -0.289 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.250 3.316 0.045 0.00 0.00 +0.068 C ATOM 27 C LIG 1 -2.230 4.824 -0.219 0.00 0.00 +0.039 C ATOM 28 C LIG 1 -3.461 5.503 0.374 0.00 0.00 +0.160 C ATOM 29 O LIG 1 -3.973 4.845 1.534 0.00 0.00 -0.380 OA ATOM 30 C LIG 1 -2.958 4.223 2.312 0.00 0.00 +0.160 C ATOM 31 C LIG 1 -2.381 3.036 1.550 0.00 0.00 +0.039 C ENDBRANCH 24 26 ENDBRANCH 9 24 BRANCH 1 32 ATOM 32 C LIG 1 1.377 0.665 -1.116 0.00 0.00 +0.127 C BRANCH 32 37 ATOM 33 C LIG 1 3.562 -0.052 4.315 0.00 0.00 +0.007 C ATOM 34 C LIG 1 2.650 0.024 3.092 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.112 -0.958 2.010 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.244 -0.867 0.755 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.187 0.563 0.198 0.00 0.00 +0.009 C ATOM 38 C LIG 1 1.729 1.543 1.288 0.00 0.00 +0.005 C ATOM 39 C LIG 1 2.602 1.452 2.539 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 6